Services

Fluent & Workbench

Fluent & Workbench What is FLUENT and Workbench? FLUENT is a general purpose Computational Fluid Dynamics (CFD) software tool. FLUENT is an engineering design and analysis tool for fluid flow, heat transfer, chemical reactions and combustion problems, etc. The software is capable of predicting the external/internal aerodynamics performance of an

Application Software

Application Software Compilers and Libraries Name Description Compilers Intel and GNU compilers for C/C++ and Fortran programs Machine Learning and Deep Learning Name Description Python on CPUs Manual Python on CPU-based HPC cluster. DL on GPUs Manual Deep Learning libraries and frameworks on GPU-accelerated system. Life Science/Molecular Modeling and Visualisation

How to Run Batch Job

How to Run Batch Job Using PBS in HPC Cluster The PBS Pro job scheduler is a powerful cluster management tool that enables users to make full use of the computing resources available in HPC. Some useful features that can be found in PBS job scheduler include: • Ability to

CFX & Workbench

CFX & Workbench What is ANSYS CFX and Workbench? ANSYS CFX is a general purpose Computational Fluid Dynamics (CFD) software tool. CFX is an engineering design and analysis tool for fluid flow, heat transfer, chemical reactions and combustion problems, etc. The software is capable of predicting the external/internal aerodynamics performance

VMD

VMD VMD (Visual Molecular Dynamics) is an open source molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD is designed for the visualization and analysis of biological systems such as proteins, nucleic acids, lipid bilayer assemblies, etc. It may be used to

Siesta

Siesta Siesta (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. Siesta 4.1.3 is currently installed in the HPC systems. To submit Siesta jobs, login to

Quantum Espresso

Quantum Espresso Quantum Espresso is an integrated suite of computer codes for electronic-structure calculation and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. The parallel version Quantum Espresso 5.2 is made available in all clusters. You can use the following template script to submit

Scientific Visualisation

Scientific Visualisation At NUS IT, the Remote and Collaborative Visualization System are setup for you to run your favorite modeling software such as Fluent, Abaqus and GaussView, and create high impact and insightful animation using tools such as EnSight and Matlab, anywhere anytime on you laptop or desktop. The high